UCSF

ZINC23363098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 Yes

Popular Name: 1-isobutyl-7-methylsulfanyl-3-[[[(3S)-quinuclidin-3-yl]amino]methyl]quinolin-2-one 1-isobutyl-7-methylsulfanyl-3-[[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 10.56 -34.97 2 4 1 38 386.585 6 ↓
Lo Low (pH 4.5-6) 3.35 11.75 -109.09 3 4 2 43 387.593 6 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )